internal_coord.get_triads

internal_coord.get_triads(ic_data: Iterable) → list[tuple[str, str, str]]

Extract groups of 3 atoms from the biopython internal coordinate data

Parameters:

ic_data (Iterable) – Iterable containing groups of bonded atoms that describe internal coordinates

Returns:

list of groups of 3 bonded atoms

Return type:

list[tuple[str, str, str]]